PUBCHEM-ZINC03614430 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -3.5350 3.8720 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0480 2.5490 2.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 1.5920 2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 0.3180 1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 -0.7530 1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 -0.5670 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 0.7070 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 1.7820 2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -1.6990 1.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7590 -1.7650 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5680 -0.8400 0.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2660 -3.1920 0.5400 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6900 -3.9330 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1240 -3.3990 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0210 -2.7480 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8980 -2.9580 -3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9200 -3.7640 -3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9930 -4.3980 -2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0950 -4.1950 -1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 -4.8000 -0.7320 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7970 -5.9930 -0.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 -4.0690 0.1190 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.9810 -3.8290 -5.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1040 -2.9620 -5.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6960 -2.4140 -4.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7470 -3.2920 2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1900 -3.3170 3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9190 -4.5670 2.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8160 -4.7200 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3700 -4.6820 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 4.5090 2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 4.2640 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 3.9160 3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 0.1580 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -1.7300 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 0.9080 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 2.7540 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8450 -2.5580 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8030 -2.0850 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -5.0090 -3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7660 -2.1350 -5.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8680 -3.5340 -5.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2730 -2.3520 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1680 -4.1320 3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2120 -3.2720 4.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7160 -2.4260 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4870 -5.4500 3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9720 -4.5200 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2770 -5.6650 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3830 -3.9170 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7820 -5.5150 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3500 -4.7150 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7130 -3.3970 1.0920 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.2500 -2.5890 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 53 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 53 1 M END